SCHEMBL29953577

SCHEMBL29953577

Cc1ccc(C=O)nc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
ALDH1A1 P00352 2/20 0.37
TERT O14746 5/20 0.36
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
ERN1 O75460 1/20 0.31
KCNJ1 P48048 1/20 0.31
RRM2 P31350 1/20 0.31
CYP2A6 P11509 1/20 0.30
HTR2B P41595 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22038312 0.80 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL6629423 0.77 CCR1 (0.50) CCR1ALDH1A1TERTTSHRMAPT
SCHEMBL29954773 0.77 CCR1 (0.50) CCR1ALDH1A1TERTERN1KCNJ1
SCHEMBL29951560 0.74 CCR1 (0.46) CCR1ALDH1A1TERTERN1RRM2
SCHEMBL29957451 0.74 CCR1 (0.46) CCR1ALDH1A1TERTRRM2
SCHEMBL24665932 0.74 CCR1 (0.46) CCR1ALDH1A1TERTKCNJ1RRM2
SCHEMBL29820201 0.74 CCR1 (0.46) CCR1ALDH1A1TERTKCNJ1RRM2
SCHEMBL21817861 0.74 CCR1 (0.46) CCR1ALDH1A1TERTERN1RRM2
SCHEMBL17049068 0.74 CCR1 (0.46) CCR1ALDH1A1TERTTSHRMAPT
SCHEMBL20110641 0.74 CCR1 (0.46) CCR1ALDH1A1TERTTSHRMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed